2,8-dimethyl-5-propylnonane

C14H30 — CID 57014492

IUPAC2,8-dimethyl-5-propylnonane
SMILESCCCC(CCC(C)C)CCC(C)C
InChIInChI=1S/C14H30/c1-6-7-14(10-8-12(2)3)11-9-13(4)5/h12-14H,6-11H2,1-5H3
InChIKeyQTUBFXJQVQETBC-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds8

About 2,8-dimethyl-5-propylnonane

2,8-dimethyl-5-propylnonane (PubChem CID 57014492) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,8-dimethyl-5-propylnonane.

Molecular Properties

Compound Name2,8-dimethyl-5-propylnonane
PubChem CID57014492
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,8-dimethyl-5-propylnonane
SMILESCCCC(CCC(C)C)CCC(C)C
InChIInChI=1S/C14H30/c1-6-7-14(10-8-12(2)3)11-9-13(4)5/h12-14H,6-11H2,1-5H3
InChIKeyQTUBFXJQVQETBC-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5R)-2-methyl-5-propylnonane
CID 162842430
ethane;2-methyl-5-propylnonane
CID 171073854
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
2-methyl-5-propyltridecane
CID 123255718
7-methyloctan-4-ylphosphanium
CID 22349017
N,N,5-trimethyl-2-propylhexan-1-amine
CID 123395746
2-methylpentane
CID 7892
N,N,8-trimethyl-5-propylnonan-1-amine
CID 123144577
5-methyl-N,2-dipropylhexan-1-amine
CID 63497105
azane;2-methylpentane
CID 87098569
ethane;2-methylpentane
CID 143713716
2-methylpentane;hydroiodide
CID 160726714

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-propylnonane?
The IUPAC name of 2,8-dimethyl-5-propylnonane (CID 57014492) is 2,8-dimethyl-5-propylnonane.
What is the SMILES notation for 2,8-dimethyl-5-propylnonane?
The canonical SMILES for 2,8-dimethyl-5-propylnonane is CCCC(CCC(C)C)CCC(C)C.
What is the InChIKey of 2,8-dimethyl-5-propylnonane?
The InChIKey is QTUBFXJQVQETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-6-7-14(10-8-12(2)3)11-9-13(4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 2,8-dimethyl-5-propylnonane?
2,8-dimethyl-5-propylnonane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-propylnonane is sourced from PubChem (CID 57014492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).